WOLFRAM|DEMONSTRATIONS PROJECT

Descriptive Reaction Kinetics

​
built-in reactions
Oregonator
complex chemical reaction
{A+Y→X,X+Y→P,B+X→2X+Z,2X→Q}
number of reaction steps
4
chemical species
{X,Y,Z}
number of chemical species
3
external species
{A,P,B,Q}
number of external species
4
complexes
{0,X,2X,Y,X+Y,2X+Z}
number of complexes
6
matrix of reactant
complex vectors (α)
0
1
1
2
1
1
0
0
0
0
0
0
matrix of product
complex vectors (β)
1
0
2
0
0
0
0
0
0
0
1
0
stoichiometric matrix (γ)
1
-1
1
-2
-1
-1
0
0
0
0
1
0
induced mass action kinetic
differential equations
(CCD model)
′
c
X
(t)-
k
2
c
X
(t)
c
Y
(t)-2
k
4
2
c
X
(t)
+
k
3
c
X
(t)+
k
1
c
Y
(t)
′
c
Y
(t)-
k
2
c
X
(t)
c
Y
(t)-
k
1
c
Y
(t)
′
c
Z
(t)
k
3
c
X
(t)
This Demonstration gives a very short description of the abstract ideas of reaction kinetics: the reactant and product complexes, the corresponding complex vectors and matrices, the stoichiometric matrix, and a deterministic model of the formal reaction mechanism, namely the induced mass action kinetic differential equation.